| SpectraBase Spectrum ID |
GWuCGCHbIQ4 |
| Name |
Atropic acid |
| CAS Registry Number |
492-38-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
148.052429496 u |
| Formula |
C9H8O2 |
| InChI |
InChI=1S/C9H8O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H,10,11) |
| InChIKey |
ONPJWQSDZCGSQM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
148.161 g/mol |
| Nominal Mass |
148 u |
| Quality |
959 |
| Retention Index |
1079 |
| SMILES |
OC(C(C1=CC=CC=C1)=C)=O |
| SPLASH |
splash10-0udi-5900000000-15a9127a76d63f4a71a2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Phenylacrylicacid
alpha-Phenylacrylic acid
2-Phenylprop-2-enoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022585 |
